Compound Detail
CHEMBL382198
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Basic Information
| ChEMBL ID | CHEMBL382198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMDXFYPWVIKBFF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
3.30
ALogP
8
HBA
0
HBD
83.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 9.41 | 9.41 | 0.4 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 9.11 | 9.11 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 0.39 | nM | 9.41 | Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha1 plus beta-... | 16621541 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 0.77 | nM | 9.11 | Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta-... | 16621541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16621541 | 10.1016/j.bmcl.2006.03.081 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
| 16621541 | 10.1016/j.bmcl.2006.03.081 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 2 |
Data from ChEMBL 36 via Core Engine